3-(8-bromanyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl)-2-methyl-propanoate

Systemtic Name: 3-(8-bromanyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl)-2-methyl-propanoate Openeye Name: 3-[8-bromo-1-methyl-6-(2-pyridyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]-2-methyl-propanoate CAS Name: 3-[8-bromo-1-methyl-6-(2-pyridinyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]-2-methylpropanoate IUPAC Name: 3-(8-bromo-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl)-2-methylpropanoate Traditional Name: 3-[8-bromo-1-methyl-6-(2-pyridyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]-2-methyl-propionate Formula: C21H18BrN4O2- MolecularWeight: 438.29722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=NC2CC(C)C(=O)[O-])C4=CC=CC=N4

Isomeric SMILES

CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=NC2CC(C)C(=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C21H19BrN4O2/c1-12(21(27)28)9-17-20-24-11-13(2)26(20)18-7-6-14(22)10-15(18)19(25-17)16-5-3-4-8-23-16/h3-8,10-12,17H,9H2,1-2H3,(H,27,28)/p-1